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Substance Name: Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-piperidino-N-propyl-, 21-acetate
RN: 55372-22-0
InChIKey: QIAHUYUGMUZYSJ-JVGAYPJESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H65-N3-O13

Molecular Weight

  • 880.0385
 
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Names and Synonyms

Synonyms

  • BRN 5418842
  • Rifamycin B piperidinylpropylamide

Systematic Name

  • Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-piperidino-N-propyl-, 21-acetate

Registry Numbers

CAS Registry Number

  • 55372-22-0

System Generated Number

  • 0055372220

Structure Descriptors

InChI

1S/C47H65N3O13/c1-11-19-50(49-20-13-12-14-21-49)35(52)24-60-34-23-32-42(56)37-36(34)38-44(30(7)41(37)55)63-47(9,45(38)57)61-22-18-33(59-10)27(4)43(62-31(8)51)29(6)40(54)28(5)39(53)25(2)16-15-17-26(3)46(58)48-32/h15-18,22-23,25,27-29,33,39-40,43,53-56H,11-14,19-21,24H2,1-10H3,(H,48,58)/b16-15+,22-18+,26-17-

InChIKey

QIAHUYUGMUZYSJ-JVGAYPJESA-N

Smiles

CCCN(C(=O)COc1cc2c(c3c1c4c(c(c3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O)N5CCCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 185mg/kg (185mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.